2-amino-3-(trideuteriomethylamino)propanoic acid;hydrochloride

C4H11ClN2O2 — CID 71313292

IUPAC2-amino-3-(trideuteriomethylamino)propanoic acid;hydrochloride
SMILESCl.[2H]C([2H])([2H])NCC(N)C(=O)O
InChIInChI=1S/C4H10N2O2.ClH/c1-6-2-3(5)4(7)8;/h3,6H,2,5H2,1H3,(H,7,8);1H/i1D3;
InChIKeyVDXYGASOGLSIDM-NIIDSAIPSA-N
MW157.62 g/mol
LogP-0.96
Rot. Bonds4

About 2-amino-3-(trideuteriomethylamino)propanoic acid;hydrochloride

2-amino-3-(trideuteriomethylamino)propanoic acid;hydrochloride (PubChem CID 71313292) has the molecular formula C4H11ClN2O2 and a molecular weight of 157.62 g/mol. Its IUPAC name is 2-amino-3-(trideuteriomethylamino)propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-3-(trideuteriomethylamino)propanoic acid;hydrochloride
PubChem CID71313292
Molecular FormulaC4H11ClN2O2
Molecular Weight157.62 g/mol
Exact Mass157.07
IUPAC Name2-amino-3-(trideuteriomethylamino)propanoic acid;hydrochloride
SMILESCl.[2H]C([2H])([2H])NCC(N)C(=O)O
InChIInChI=1S/C4H10N2O2.ClH/c1-6-2-3(5)4(7)8;/h3,6H,2,5H2,1H3,(H,7,8);1H/i1D3;
InChIKeyVDXYGASOGLSIDM-NIIDSAIPSA-N
XLogP-0.96
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.62
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(trideuteriomethylamino)propanoic acid;hydrochloride?
The IUPAC name of 2-amino-3-(trideuteriomethylamino)propanoic acid;hydrochloride (CID 71313292) is 2-amino-3-(trideuteriomethylamino)propanoic acid;hydrochloride.
What is the SMILES notation for 2-amino-3-(trideuteriomethylamino)propanoic acid;hydrochloride?
The canonical SMILES for 2-amino-3-(trideuteriomethylamino)propanoic acid;hydrochloride is Cl.[2H]C([2H])([2H])NCC(N)C(=O)O.
What is the InChIKey of 2-amino-3-(trideuteriomethylamino)propanoic acid;hydrochloride?
The InChIKey is VDXYGASOGLSIDM-NIIDSAIPSA-N. The full InChI is InChI=1S/C4H10N2O2.ClH/c1-6-2-3(5)4(7)8;/h3,6H,2,5H2,1H3,(H,7,8);1H/i1D3;.
What are the key properties of 2-amino-3-(trideuteriomethylamino)propanoic acid;hydrochloride?
2-amino-3-(trideuteriomethylamino)propanoic acid;hydrochloride has a molecular weight of 157.62 g/mol, XLogP of -0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(trideuteriomethylamino)propanoic acid;hydrochloride is sourced from PubChem (CID 71313292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).